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260-21-9 | 5H-Dibenzo[c,h][1,2,5,7,6]dithiadiazaphosphonine
CAS No: 260-21-9 Catalog No: AG002RC6 MDL No:
Product Description
Catalog Number:
AG002RC6
Chemical Name:
5H-Dibenzo[c,h][1,2,5,7,6]dithiadiazaphosphonine
CAS Number:
260-21-9
Molecular Formula:
C12H10N2PS2
Molecular Weight:
277.3250
IUPAC Name:
7H-benzo[d][6,7,1,3,2]benzodithiadiazaphosphonine
InChI:
InChI=1S/C12H9N2PS2/c1-3-7-11-9(5-1)13-15-14-10-6-2-4-8-12(10)17-16-11/h1-8H,(H,13,14)
InChI Key:
LJYQVTODLOZSAT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)NP=Nc1c(SS2)cccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.312g/mol
Monoisotopic Mass:
275.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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